SCHEMBL237243

SCHEMBL237243

CN(c1ccc(Cl)cc1)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHKA P35790 9/20 0.47
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CES1 P23141 2/20 0.40
CES2 O00748 1/20 0.40
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
CYP2A6 P11509 2/20 0.38
LMNA P02545 1/20 0.38
CHKB Q9Y259 1/20 0.38
CCR5 P51681 2/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5213200 0.87 CHKA (0.55) CHKAALDH1A1KDM4EHPGDALOX15
SCHEMBL14114972 0.87 CYP2A6 (0.50) ALDH1A1KDM4EHPGDALOX15HSD17B10
Ethane SCHEMBL6986774 0.85 CHKA (0.53) CHKAALDH1A1KDM4EHPGDALOX15
Hydrochloric Acid SCHEMBL6414496 0.85 CHKA (0.53) CHKAALDH1A1KDM4EHPGDALOX15
SCHEMBL14059916 0.80 CYP2A6 (0.42) ALDH1A1KDM4EHPGDALOX15HSD17B10
SCHEMBL21632449 0.80 CYP2A6 (0.42) ALDH1A1KDM4EHPGDALOX15HSD17B10
SCHEMBL197605 0.79
1,4-Dichlorobenzene SCHEMBL10839178 0.79 CYP2A6 (0.61) ALDH1A1ALOX15CYP2A6LMNATDP1
SCHEMBL1134844 0.78 GSK3B (0.50) CHKAALDH1A1KDM4EHPGDALOX15
SCHEMBL3181372 0.78 CES2 (0.49) CHKAALDH1A1KDM4EHPGDCES1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004244-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120004244-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R CHKA 3910/4885ALDH1A1 433/4885KDM4E 2809/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.